[molpro-user] density fitting local correlation methods

st40 at st-andrews.ac.uk st40 at st-andrews.ac.uk
Fri Sep 1 09:47:33 BST 2006

Dear All,

Could somebody please provide me with an input for a DF-LCCSD(T) calculation of
a TM-complex (in conjunction with Dolg's ECPs)? How do I have to specify a
non-standard basis for density fitting and what settings of the local
coreelation are necessary for an efficient run?

Any help will be kindly appreciated.

University of St Andrews Webmail: https://webmail.st-andrews.ac.uk

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